| Catalog Number | ONT956139187 |
| CAS | 956139-18-7 |
| Synonyms | ((2S,6R)-6-(6-Benzamido-9H-purin-9-yl)-4-tritylmorpholin-2-yl)methyl dimethylphosphoramidochloridate |
| IUPAC Name | N-[9-[(2R,6S)-6-[[Chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]purin-6-yl]benzamide |
| Molecular Weight | 722.2 |
| Molecular Formula | C38H37ClN7O4P |
| Canonical SMILES | CN(C)P(=O)(OCC1CN(CC(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)Cl |
| InChI | InChI=1S/C38H37ClN7O4P/c1-44(2)51(39,48)49-25-32-23-45(38(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31)24-33(50-32)46-27-42-34-35(40-26-41-36(34)46)43-37(47)28-15-7-3-8-16-28/h3-22,26-27,32-33H,23-25H2,1-2H3,(H,40,41,43,47)/t32-,33+,51?/m0/s1 |
| InChI Key | HRNHOEBQNIMEGD-RJFDGRJRSA-N |
| Purity | 99%+ (HPLC) |
| Complexity | 1130 |
| Exact Mass | 721.2333174 |
| Heavy Atom Count | 51 |
| Isomeric SMILES | CN(C)P(=O)(OC[C@@H]1CN(C[C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)Cl |
| Monoisotopic Mass | 721.2333174 |
| Topological Polar Surface Area | 115Ų |
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